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Volumn 166, Issue 2, 1998, Pages 145-155

Molecular dynamic simulation and docking energy to forecast the stability of βCyD-complexes in water solution

Author keywords

Cyclodextrin; 1H NMR; Molecular dynamic simulation; Nuclear Overhauser effect

Indexed keywords

4 AMINOBENZOIC ACID; ACETYLSALICYLIC ACID; BETA CYCLODEXTRIN; CARVACROL; IBUPROXAM; THYMOL;

EID: 0032543175     PISSN: 03785173     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0378-5173(98)00036-2     Document Type: Article
Times cited : (10)

References (11)
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    • Amato, E.M., Djiedaini-Pilard, F., Perly, B., Scarlata, G., 1992. High field NMR techniques and molecular modelling studies of the inclusion complexes of the nootropic drug tenilsetam (CAS 997) in cyclodextrins. J. Chem. Soc. Perkin Trans. 2, 2065-2069.
    • (1992) J. Chem. Soc. Perkin Trans. , vol.2 , pp. 2065-2069
    • Amato, E.M.1    Djiedaini-Pilard, F.2    Perly, B.3    Scarlata, G.4
  • 3
    • 0025050372 scopus 로고
    • A molecular mechanical force field for the conformational analysis of oligosaccharides: Comparison of theoretical and crystal structures of Manα 1-3, Manβ 1-4GlcNac
    • Homans, S.W., 1990. A molecular mechanical force field for the conformational analysis of oligosaccharides: comparison of theoretical and crystal structures of Manα 1-3, Manβ 1-4GlcNac. Biochemistry 29, 9110-9118.
    • (1990) Biochemistry , vol.29 , pp. 9110-9118
    • Homans, S.W.1
  • 5
    • 0027389034 scopus 로고
    • 1H-NMR NOE experiments: Complementary tools for the investigation of complex ibuproxam-β-cyclodextrin topology
    • 1H-NMR NOE experiments: complementary tools for the investigation of complex ibuproxam-β-cyclodextrin topology. Int. J. Pharm. 90, 35-41.
    • (1993) Int. J. Pharm. , vol.90 , pp. 35-41
    • Mulinacci, N.1    Melani, F.2    Mazzi, G.3    Vincieri, F.F.4
  • 8
    • 0002183829 scopus 로고
    • Nuclear Overhauser effect, a powerful tool for the investigation of the geometry in solution of different complexes with β-cyclodextrin
    • Redenti, E., Fronza, G., Spinsi, A. 1992. Nuclear Overhauser effect, a powerful tool for the investigation of the geometry in solution of different complexes with β-cyclodextrin. 5th Int. Symp. Cyclodextrins, pp. 220-225.
    • (1992) 5th Int. Symp. Cyclodextrins , pp. 220-225
    • Redenti, E.1    Fronza, G.2    Spinsi, A.3
  • 10
    • 84988053694 scopus 로고
    • An all atom force field for simulation of proteins and nucleic acid
    • Weiner, S.J., Kolman, P.A., Nyguyen, D.T., Case, D.A., 1986. An all atom force field for simulation of proteins and nucleic acid. J. Comp. Chem. 7, 230-252.
    • (1986) J. Comp. Chem. , vol.7 , pp. 230-252
    • Weiner, S.J.1    Kolman, P.A.2    Nyguyen, D.T.3    Case, D.A.4
  • 11
    • 33751155339 scopus 로고
    • Molecular mechanical and molecular dynamic simulations of glycoproteins and olygosaccharides. 1. GLYCAM '93 parameter development
    • Woods, R.J., Dwek, R.A., Edge, C.J., Fraser-Red, B., 1995. Molecular mechanical and molecular dynamic simulations of glycoproteins and olygosaccharides. 1. GLYCAM '93 parameter development. J. Phys. Chem. 99, 3832-3846.
    • (1995) J. Phys. Chem. , vol.99 , pp. 3832-3846
    • Woods, R.J.1    Dwek, R.A.2    Edge, C.J.3    Fraser-Red, B.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.